N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:96010)

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CHEBI:96010 - N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

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ChEBI ID	CHEBI:96010
ChEBI Name	N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
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Downloads	Molfile

Formula	C23H35N5O6S
Net Charge	0
Average Mass	509.629
Monoisotopic Mass	509.23080
SMILES	COc1cccc(S(=O)(=O)N(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)c1
InChI	InChI=1S/C23H35N5O6S/c1-17-12-28(18(2)15-29)23(30)9-6-10-27-13-19(24-25-27)16-34-22(17)14-26(3)35(31,32)21-8-5-7-20(11-21)33-4/h5,7-8,11,13,17-18,22,29H,6,9-10,12,14-16H2,1-4H3/t17-,18+,22-/m0/s1
InChIKey	RLIRIECCVMDDQV-SVMVAKDDSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:96010) is a azamacrocycle (CHEBI:52898)
	N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:96010) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-7389	LINCS